Home Aminos (3R,4R)-4-Amino-1-[[4-[(3-methoxyphenyl)amino]pyrrolo[2,1-f][1,2,4]triazin-5-yl]methyl]piperidin-3-ol

(3R,4R)-4-Amino-1-[[4-[(3-methoxyphenyl)amino]pyrrolo[2,1-f][1,2,4]triazin-5-yl]methyl]piperidin-3-ol

CAS No.:
859853-30-8
Catalog Number:
AG00GU1Z
Molecular Formula:
C19H24N6O2
Molecular Weight:
368.4329
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
2mg
99%
1 week
United States
$323
- +
5mg
99%
1 week
United States
$457
- +
10mg
99%
1 week
United States
$698
- +
50mg
99%
1 week
United States
$1707
- +
Product Description
Catalog Number:
AG00GU1Z
Chemical Name:
(3R,4R)-4-Amino-1-[[4-[(3-methoxyphenyl)amino]pyrrolo[2,1-f][1,2,4]triazin-5-yl]methyl]piperidin-3-ol
CAS Number:
859853-30-8
Molecular Formula:
C19H24N6O2
Molecular Weight:
368.4329
MDL Number:
MFCD18633295
IUPAC Name:
(3R,4R)-4-amino-1-[[4-(3-methoxyanilino)pyrrolo[2,1-f][1,2,4]triazin-5-yl]methyl]piperidin-3-ol
InChI:
InChI=1S/C19H24N6O2/c1-27-15-4-2-3-14(9-15)23-19-18-13(5-8-25(18)22-12-21-19)10-24-7-6-16(20)17(26)11-24/h2-5,8-9,12,16-17,26H,6-7,10-11,20H2,1H3,(H,21,22,23)/t16-,17-/m1/s1
InChI Key:
CSGQVNMSRKWUSH-IAGOWNOFSA-N
SMILES:
COc1cccc(c1)Nc1ncnn2c1c(cc2)CN1CC[C@H]([C@@H](C1)O)N
UNII:
VKU5X213Q7
Properties
Complexity:
483  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
2  
Defined Bond Stereocenter Count:
0
Exact Mass:
368.196g/mol
Formal Charge:
0
Heavy Atom Count:
27  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
368.441g/mol
Monoisotopic Mass:
368.196g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
101A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7  
Literature
Title Journal
A phase I study of BMS-690514 in Japanese patients with advanced or metastatic solid tumors. Cancer chemotherapy and pharmacology 20121001
In vitro characterization of the metabolic pathways and cytochrome P450 inhibition and induction potential of BMS-690514, an ErbB/vascular endothelial growth factor receptor inhibitor. Drug metabolism and disposition: the biological fate of chemicals 20110901
Mechanistic studies on a P450-mediated rearrangement of BMS-690514: conversion of a pyrrolotriazine to a hydroxypyridotriazine. Chemical research in toxicology 20110114
Metabolism and disposition of [14C]BMS-690514, an ErbB/vascular endothelial growth factor receptor inhibitor, after oral administration to humans. Drug metabolism and disposition: the biological fate of chemicals 20101101
Preclinical pharmacokinetics and in vitro metabolism of BMS-690514, a potent inhibitor of EGFR and VEGFR2. Journal of pharmaceutical sciences 20100801
BMS-690514, a VEGFR and EGFR tyrosine kinase inhibitor, shows anti-tumoural activity on non-small-cell lung cancer xenografts and induces sequence-dependent synergistic effect with radiation. British journal of cancer 20100727
Metabolism and disposition of [14C]BMS-690514 after oral administration to rats, rabbits, and dogs. Drug metabolism and disposition: the biological fate of chemicals 20100701
A novel epidermal growth factor receptor inhibitor promotes apoptosis in non-small cell lung cancer cells resistant to erlotinib. Cancer research 20070701
Properties